(E)-but-2-enedioic acid; N,3-diphenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-ynamide

Systemtic Name: (E)-but-2-enedioic acid; N,3-diphenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-ynamide Openeye Name: N-(1-benzyl-4-piperidyl)-N,3-diphenyl-prop-2-ynamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N,3-diphenyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-propynamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-N,3-diphenylprop-2-ynamide; (E)-but-2-enedioic acid Traditional Name: N-(1-benzyl-4-piperidyl)-N,3-diphenyl-propiolamide; fumaric acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(C2=CC=CC=C2)C(=O)C#CC3=CC=CC=C3)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1N(C2=CC=CC=C2)C(=O)C#CC3=CC=CC=C3)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H26N2O.C4H4O4/c30-27(17-16-23-10-4-1-5-11-23)29(25-14-8-3-9-15-25)26-18-20-28(21-19-26)22-24-12-6-2-7-13-24;5-3(6)1-2-4(7)8/h1-15,26H,18-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+